| SpectraBase Spectrum ID |
JG777RCtcuR |
| Name |
1-(p-Chloro-alpha-propylbenzyl)hexamethylenimine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.136405209 u |
| Formula |
C16H25Cl2N |
| InChI |
InChI=1S/C16H24ClN.ClH/c1-2-7-16(14-8-10-15(17)11-9-14)18-12-5-3-4-6-13-18;/h8-11,16H,2-7,12-13H2,1H3;1H |
| InChIKey |
UWFZWSMFLSQVCG-UHFFFAOYSA-N |
| Molecular Weight |
302.289 g/mol |
| SMILES |
C1(Cl)=CC=C(C(CCC)N2CCCCCC2)C=C1.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.986289 |
